SCHEMBL14945929

SCHEMBL14945929

Cc1c(F)cc(-c2ccc(Br)cc2F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.46
FEN1 P39748 1/20 0.46
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
DGAT1 O75907 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PTGS2 P35354 1/20 0.35
NMUR2 Q9GZQ4 1/20 0.35
S100A4 P26447 1/20 0.34
KDM1A O60341 2/20 0.34
KDM1B Q8NB78 1/20 0.34
AR P10275 1/20 0.34
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13239261 0.91 ALOX5AP (0.43) ALOX5APFEN1MMP1MMP2MMP3
SCHEMBL1814767 0.83 ALOX5AP (0.49) ALOX5APFEN1MMP1MMP2MMP3
SCHEMBL29448266 0.83 ALOX5AP (0.49) ALOX5APFEN1MMP1MMP2MMP3
SCHEMBL15341611 0.80 FEN1 (0.54) ALOX5APFEN1MMP1MMP2MMP3
SCHEMBL9223676 0.80 ALOX5AP (0.46) ALOX5APFEN1MMP1MMP2MMP3
SCHEMBL31116992 0.79 ALOX5AP (0.47) ALOX5APFEN1MMP1MMP2MMP3
SCHEMBL12198995 0.79 ALOX5AP (0.45) ALOX5APFEN1MMP1MMP2MMP3
SCHEMBL30665731 0.79 ALOX5AP (0.45) ALOX5APFEN1MMP1MMP2MMP3
SCHEMBL10018710 0.79 PTGS2 (0.40) PTGS2KDM1AAKR1C3AKR1C2HDAC1
SCHEMBL27856308 0.78 TTR (0.47) MMP1MMP2MMP3MMP7MMP9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940185-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-01-27 US disclosed
US-20130119310-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2013-05-16 US disclosed